COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509011
Chemical Name: 4,4'-[(2-bromo-5-hydroxyphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Smiles: Oc1ccc(c(c1)C(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(C)n(n(c1=O)c1ccccc1)C)Br

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Molecular Weight: 559.46
Empirical Formula: C29H27BrN4O3

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 2.99
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 67
Number of rings: 5

     

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